#------------------------------------------------------------------------------
#$Date: 2018-07-12 18:11:28 +0300 (Thu, 12 Jul 2018) $
#$Revision: 209001 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/74/1537465.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1537465
loop_
_publ_author_name
'Jeffrey, G. A.'
'Stadler, H. P.'
_publ_section_title
;
 The structure of the dinitrososulphite and sulphamate ions
;
_journal_coden_ASTM              JCSOA9
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1467
_journal_page_last               1474
_journal_paper_doi               10.1039/jr9510001467
_journal_volume                  1951
_journal_year                    1951
_chemical_formula_sum            'H8 N4 O5 S'
_chemical_name_systematic        '(N H4)2 (S O3 (N O)2)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.445
_cell_length_b                   8.154
_cell_length_c                   10.261
_cell_volume                     622.910
_cod_data_source_file            Jeffrey_JCSOA9_1951_1490.cif
_cod_data_source_block           H8N4O5S1
_cod_original_cell_volume        622.9097
_cod_original_formula_sum        'H8 N4 O5 S1'
_cod_database_code               1537465
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
O1 O-2 0.344 0.25 0.1506 1 0.0 0
N3 N-3 0.048 0.993 0.195 1 0.0 4
N1 N+2 0.5925 0.25 0.9715 1 0.0 0
O4 O-2 0.8692 0.25 0.0373 1 0.0 0
S1 S+4 0.3565 0.25 0.0082 1 0.0 0
O3 O-2 0.6409 0.25 0.8513 1 0.0 0
N2 N+2 0.7037 0.25 0.0726 1 0.0 0
O2 O-2 0.2968 0.1008 0.948 1 0.0 0
